3,3',4',5,7-Pentahydroxy-6-(5-oxo-2-pyrrolidinyl)flavan; (2R,2''ξ,3R)-form
AlkaPlorer ID: AK309701
Synonym: 6-(5-Oxo-2-pyrrolidinyl)epicatechin
IUPAC Name: 5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]pyrrolidin-2-one
Structure
SMILES: O=C1CCC(C2=C(O)C3=C(C=C2O)OC(C2=CC(O)=C(O)C=C2)C(O)C3)N1
InChI: InChI=1S/C19H19NO7/c21-11-3-1-8(5-12(11)22)19-14(24)6-9-15(27-19)7-13(23)17(18(9)26)10-2-4-16(25)20-10/h1,3,5,7,10,14,19,21-24,26H,2,4,6H2,(H,20,25)
InChIKey: UCIRBQYYKCLWFF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinidia arguta | Actinidia | Actinidiaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.3610000000001
TPSA？: 139.48000000000002
MolLogP？: 1.4972
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|